4-(2-chloranyl-6-fluoranyl-phenyl)-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-chloranyl-6-fluoranyl-phenyl)-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(2-chloro-6-fluoro-phenyl)-3-ethyl-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(2-chloro-6-fluorophenyl)-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(2-chloro-6-fluorophenyl)-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(2-chloro-6-fluoro-phenyl)-3-ethyl-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C14H14ClFN2O2S MolecularWeight: 328.789563

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=C(NC1=S)C)C(=O)O)C2=C(C=CC=C2Cl)F

Isomeric SMILES

CCN1C(C(=C(NC1=S)C)C(=O)O)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C14H14ClFN2O2S/c1-3-18-12(11-8(15)5-4-6-9(11)16)10(13(19)20)7(2)17-14(18)21/h4-6,12H,3H2,1-2H3,(H,17,21)(H,19,20)